EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5088 - flavoxate
| Formula | C24H25NO4 |
| Net Charge | 0 |
| Average Mass | 391.467 |
| Monoisotopic Mass | 391.17836 |
| SMILES | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O |
| InChI | InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3 |
| InChIKey | SPIUTQOUKAMGCX-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | parasympatholytic Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists. muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. |
| Applications: | antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. parasympatholytic Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists. muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| flavoxate (CHEBI:5088) has functional parent 2-(piperidin-1-yl)ethanol (CHEBI:61238) |
| flavoxate (CHEBI:5088) has functional parent 3-methylflavone-8-carboxylic acid (CHEBI:61237) |
| flavoxate (CHEBI:5088) has role antispasmodic drug (CHEBI:53784) |
| flavoxate (CHEBI:5088) has role muscarinic antagonist (CHEBI:48876) |
| flavoxate (CHEBI:5088) has role parasympatholytic (CHEBI:50370) |
| flavoxate (CHEBI:5088) is a carboxylic ester (CHEBI:33308) |
| flavoxate (CHEBI:5088) is a flavones (CHEBI:24043) |
| flavoxate (CHEBI:5088) is a piperidines (CHEBI:26151) |
| flavoxate (CHEBI:5088) is a tertiary amino compound (CHEBI:50996) |
| flavoxate (CHEBI:5088) is conjugate base of flavoxate(1+) (CHEBI:61236) |
| Incoming Relation(s) |
| flavoxate(1+) (CHEBI:61236) is conjugate acid of flavoxate (CHEBI:5088) |
| IUPAC Name |
|---|
| 2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate |
| INNs | Source |
|---|---|
| flavoxato | ChemIDplus |
| flavoxatum | ChemIDplus |
| flavoxate | ChemIDplus |
| Synonyms | Source |
|---|---|
| Flavoxate | KEGG COMPOUND |
| 2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate | ChemIDplus |
| 2-piperidinoethyl 3-methylflavone-8-carboxylate | ChEBI |
| 2-(1-piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate | NIST Chemistry WebBook |
| β-piperidinoethyl 3-methylflavone-8-carboxylate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1300115 | Reaxys |
| CAS:15301-69-6 | KEGG COMPOUND |
| CAS:15301-69-6 | ChemIDplus |
| CAS:15301-69-6 | NIST Chemistry WebBook |